1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine

C9H16N2O — CID 105433888

IUPAC1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine
SMILESCC(c1ccc(CN)o1)N(C)C
InChIInChI=1S/C9H16N2O/c1-7(11(2)3)9-5-4-8(6-10)12-9/h4-5,7H,6,10H2,1-3H3
InChIKeyVMJFJXADFAHTRQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.36
Rot. Bonds3

About 1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine

1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine (PubChem CID 105433888) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine
PubChem CID105433888
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine
SMILESCC(c1ccc(CN)o1)N(C)C
InChIInChI=1S/C9H16N2O/c1-7(11(2)3)9-5-4-8(6-10)12-9/h4-5,7H,6,10H2,1-3H3
InChIKeyVMJFJXADFAHTRQ-UHFFFAOYSA-N
XLogP1.36
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(aminomethyl)furan-2-yl]-N,N-diethylethanamine
CID 105450223
5-(aminomethyl)-N-methyl-N-propan-2-ylfuran-2-amine
CID 82503110
5-(aminomethyl)-N,N-dimethylfuran-2-amine
CID 82418188
[5-(2-methylpropyl)furan-2-yl]methanamine
CID 83815402
[5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine
CID 10243742
2-fluoropropane;(5-methylfuran-2-yl)methanamine
CID 142882995
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 62431529
1-[5-(aminomethyl)thiophen-2-yl]-N,N-dimethylethanamine
CID 105441380
[5-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457675
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462162
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55072533
N'-methyl-N'-[1-(5-methylfuran-2-yl)ethyl]ethane-1,2-diamine
CID 62682380

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine (CID 105433888) is 1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine is CC(c1ccc(CN)o1)N(C)C.
What is the InChIKey of 1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine?
The InChIKey is VMJFJXADFAHTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(11(2)3)9-5-4-8(6-10)12-9/h4-5,7H,6,10H2,1-3H3.
What are the key properties of 1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine?
1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine has a molecular weight of 168.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105433888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).